4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide

C15H16BrN3O2 — CID 175364543

IUPAC4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)c1ccc(C(=O)CNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C15H16BrN3O2/c1-19(2)12-5-3-10(4-6-12)14(20)9-18-15(21)13-7-11(16)8-17-13/h3-8,17H,9H2,1-2H3,(H,18,21)
InChIKeyWYPVUKJSSDKPPN-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.46
Rot. Bonds5

About 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 175364543) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID175364543
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)c1ccc(C(=O)CNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C15H16BrN3O2/c1-19(2)12-5-3-10(4-6-12)14(20)9-18-15(21)13-7-11(16)8-17-13/h3-8,17H,9H2,1-2H3,(H,18,21)
InChIKeyWYPVUKJSSDKPPN-UHFFFAOYSA-N
XLogP2.46
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide
CID 47940069
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-[2-(4-methoxyphenyl)-3-oxoprop-2-enyl]-1H-pyrrole-2-carboxamide
CID 166453842
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
N-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
CID 9256165
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106385056
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 66171291
4-[(4-bromo-1H-pyrrole-2-carbonyl)-(2-hydroxyethyl)amino]benzoic acid
CID 60831427
4-bromo-N,N-dipropyl-1H-pyrrole-2-carboxamide
CID 43410885
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 175364543) is 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide is CN(C)c1ccc(C(=O)CNC(=O)c2cc(Br)c[nH]2)cc1.
What is the InChIKey of 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WYPVUKJSSDKPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-19(2)12-5-3-10(4-6-12)14(20)9-18-15(21)13-7-11(16)8-17-13/h3-8,17H,9H2,1-2H3,(H,18,21).
What are the key properties of 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 175364543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).